AB59326
864265-08-7 | (2-(Methylsulfonyl)phenyl)methanol
Manufacturer: A2B Chem
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CatalogNumber
AB59326
ChemicalName
(2-(Methylsulfonyl)phenyl)methanol
CasNumber
864265-08-7
MolecularFormula
C8H10O3S
MolecularWeight
186.2282
MdlNumber
MFCD15527274
Smiles
OCc1ccccc1S(=O)(=O)C
Complexity
227
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
0.3
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CatalogNumber: AB59326
ChemicalName: (2-(Methylsulfonyl)phenyl)methanol
CasNumber: 864265-08-7
MolecularFormula: C8H10O3S
MolecularWeight: 186.2282
MdlNumber: MFCD15527274
Smiles: OCc1ccccc1S(=O)(=O)C
Complexity: 227
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 0.3
CatalogNumber:
AB59326
ChemicalName:
(2-(Methylsulfonyl)phenyl)methanol
CasNumber:
864265-08-7
MolecularFormula:
C8H10O3S
MolecularWeight:
186.2282
MdlNumber:
MFCD15527274
Smiles:
OCc1ccccc1S(=O)(=O)C
Complexity:
227
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
0.3
CatalogNumber: AB59327
ChemicalName: 1-(Bromomethyl)-2-(methylsulfonyl)benzene
CasNumber: 82657-74-7
MolecularFormula: C8H9BrO2S
MolecularWeight: 249.1249
MdlNumber: MFCD11847473
Smiles: BrCc1ccccc1S(=O)(=O)C
Complexity: 230
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: __
RotatableBondCount: 2
Xlogp3: 1.7
CatalogNumber:
AB59327
ChemicalName:
1-(Bromomethyl)-2-(methylsulfonyl)benzene
CasNumber:
82657-74-7
MolecularFormula:
C8H9BrO2S
MolecularWeight:
249.1249
MdlNumber:
MFCD11847473
Smiles:
BrCc1ccccc1S(=O)(=O)C
Complexity:
230
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
__
RotatableBondCount:
2
Xlogp3:
1.7
CatalogNumber: AB59328
ChemicalName: 2-(Methylsulfonyl)ethanol
CasNumber: 15205-66-0
MolecularFormula: C3H8O3S
MolecularWeight: 124.1588
MdlNumber: MFCD00014747
Smiles: OCCS(=O)(=O)C
Complexity: 118
Covalently-bondedUnitCount: 1
HeavyAtomCount: 7
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: -1.1
CatalogNumber:
AB59328
ChemicalName:
2-(Methylsulfonyl)ethanol
CasNumber:
15205-66-0
MolecularFormula:
C3H8O3S
MolecularWeight:
124.1588
MdlNumber:
MFCD00014747
Smiles:
OCCS(=O)(=O)C
Complexity:
118
Covalently-bondedUnitCount:
1
HeavyAtomCount:
7
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
-1.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CSc1ccc2c(c1)Nc1c(S2)cccc1
Complexity: 246
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 4.7
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CSc1ccc2c(c1)Nc1c(S2)cccc1
Complexity:
246
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
4.7